CID 371094

Nsc645041

Structural Information

Molecular Formula
C16H14N2O2
SMILES
COC1=CC=C(C=C1)C2=NC3=CC=CC=C3NC(=O)C2
InChI
InChI=1S/C16H14N2O2/c1-20-12-8-6-11(7-9-12)15-10-16(19)18-14-5-3-2-4-13(14)17-15/h2-9H,10H2,1H3,(H,18,19)
InChIKey
WEQNGFZKIIZBHZ-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

266.10553 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 160.1
[M+Na]+ 289.09475 167.7
[M-H]- 265.09825 165.1
[M+NH4]+ 284.13935 173.4
[M+K]+ 305.06869 167.0
[M+H-H2O]+ 249.10279 152.0
[M+HCOO]- 311.10373 178.1
[M+CH3COO]- 325.11938 170.9
[M+Na-2H]- 287.08020 166.2
[M]+ 266.10498 156.7
[M]- 266.10608 156.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.